Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50205685'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50205685 (CHEMBL230393 | N1-((S)-2-((S)-3-hydroxypyrrolidin-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CC(=O)Nc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H30N4O5S/c1-26(21(17-6-4-3-5-7-17)16-27-13-12-20(28)15-27)23(30)14-22(29)24-18-8-10-19(11-9-18)25-33(2,31)32/h3-11,20-21,25,28H,12-16H2,1-2H3,(H,24,29)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 1951-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.053 BindingDB Entry DOI: 10.7270/Q2Q52P9X
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